Atomic-level insight into the carburization process of iron-based catalysts: A ReaxFF molecular dynamics study

作者：Shuai Guo, Kuan Lu, Ke Zheng, Xin Yu, Pengju Ren, Yong Yang, Yongwang Li, Honglin Chen, Xiaodong Wen · 发表于：Journal of Catalysis · 年份：2024 · DOI：10.1016/j.jcat.2024.115719 · 被引用次数：11 · 研究领域：Catalytic Processes in Materials Science、Catalysis and Hydrodesulfurization Studies、Catalysts for Methane Reforming